Crystallography Open Database

Information card for entry 2230390

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Structure parameters

Chemical name	[<i>N</i>'-(5-Chloro-2-oxidobenzyl-κ<i>O</i>)-2,4-dihydroxybenzohydrazidato- κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)dioxidomolybdenum(VI)–4,4'- bipyridine (1/1)
Formula	C25 H21 Cl Mo N4 O7
Calculated formula	C25 H21 Cl Mo N4 O7
SMILES	[Mo]12(OC(=N[N]2=Cc2cc(Cl)ccc2O1)c1ccc(O)cc1O)(=O)(=O)[OH]C.n1ccc(cc1)c1ccncc1
Title of publication	[<i>N</i>'-(5-Chloro-2-oxidobenzyl-κ<i>O</i>)-2,4-dihydroxybenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)dioxidomolybdenum(VI)–4,4'-bipyridine (1/1)
Authors of publication	Ngan, Ngui Khiong; Wong, Richard Chee Seng; Lo, Kong Mun; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	m747
a	6.9575 ± 0.0003 Å
b	7.4541 ± 0.0004 Å
c	47.197 ± 0.002 Å
α	90°
β	92.0073 ± 0.0006°
γ	90°
Cell volume	2446.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.228
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2230390.cif 2230390.hkl
181225	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/03.	2230390.cif 2230390.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230390.cif 2230390.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230390.cif 2230390.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2230390.cif 2230390.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230390.cif 2230390.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230390.cif 2230390.hkl
22370	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 2230390 via cif-deposit CGI script.	2230390.cif