Crystallography Open Database

Information card for entry 7008825

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Structure parameters

Formula	C66 H54 Ag2 B2 F8 N18 O2
Calculated formula	C66 H54 Ag2 B2 F8 N18 O2
Title of publication	Coordination chemistry of a terpyridine-tris(pyrazolyl) ditopic ligand.
Authors of publication	Zibaseresht, Ramin; Hartshorn, Richard M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	24
Pages of publication	3898 - 3908
a	8.5329 ± 0.0016 Å
b	22.108 ± 0.005 Å
c	17.393 ± 0.004 Å
α	90°
β	96.534 ± 0.003°
γ	90°
Cell volume	3259.8 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1633
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7008825.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7008825.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008825.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008825.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008825.cif