Crystallography Open Database

Information card for entry 2017748

2017747 << 2017748 >> 2017749

Preview

Coordinates	2017748.cif
Structure factors	2017748.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di- μ~3~-oxido-dimanganese(III)disodium
Formula	C64 H112 Mn2 N4 Na2 O4 Si4
Calculated formula	C64 H112 Mn2 N4 Na2 O4 Si4
SMILES	c12cccc3cccc(N([Mn]45(N1[Si](C(C)C)(C(C)C)C(C)C)[O]([Na][O]1CCCC1)[Mn]15(N(c5cccc6cccc(N1[Si](C(C)C)(C(C)C)C(C)C)c56)[Si](C(C)C)(C(C)C)C(C)C)[O]4[Na][O]1CCCC1)[Si](C(C)C)(C(C)C)C(C)C)c23
Title of publication	Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di-μ~3~-oxido-dimanganese(III)disodium
Authors of publication	Blake, Alexander J.; Harris, Naomi A.; Kays, Deborah L.; Lewis, William; Moxey, Graeme J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m204 - m206
a	25.209 ± 0.002 Å
b	17.6946 ± 0.0015 Å
c	15.5541 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6938.1 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.21
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
180846 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/77.	2017748.cif 2017748.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2017748.cif 2017748.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017748.cif 2017748.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.	2017748.cif 2017748.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017748.cif 2017748.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2017748.cif 2017748.hkl
1551	2010-10-08	cif/2/ Adding data CIFs from Acta-Cryst-C-2010_08/.	2017748.cif