Crystallography Open Database

Information card for entry 2229405

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Structure parameters

Chemical name	Chloridobis[<i>N</i>'-(2-methoxybenzylidene)-4-nitrobenzohydrazidato- κ^2^<i>O</i>,<i>N</i>'](4-methylpyridine-κ<i>N</i>)cobalt(III)
Formula	C36 H31 Cl Co N7 O8
Calculated formula	C36 H31 Cl Co N7 O8
SMILES	[Co]12(Cl)(OC(=N[N]1=Cc1c(OC)cccc1)c1ccc(N(=O)=O)cc1)(OC(=N[N]2=Cc1c(OC)cccc1)c1ccc(N(=O)=O)cc1)[n]1ccc(cc1)C
Title of publication	Chloridobis[<i>N</i>'-(2-methoxybenzylidene)-4-nitrobenzohydrazidato-κ^2^<i>O</i>,<i>N</i>'](4-methylpyridine-κ<i>N</i>)cobalt(III)
Authors of publication	Wu, Qiong-Jie; Chen, Xiao-Hua; Jiang, Jiang; Cai, Bi-Qiong; Xie, Yong-Ping
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	3
Pages of publication	m293
a	10.53 ± 0.002 Å
b	14.028 ± 0.003 Å
c	14.794 ± 0.003 Å
α	62.203 ± 0.003°
β	85.669 ± 0.003°
γ	72.275 ± 0.003°
Cell volume	1835.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.145
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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
181215 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/94.	2229405.cif 2229405.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2229405.cif 2229405.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229405.cif 2229405.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.	2229405.cif 2229405.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229405.cif 2229405.hkl
17966	2011-04-13	hkl/: adding the rest of Fobs files for the recent IUCr deposit.	2229405.cif 2229405.hkl
17457	2011-04-07	../uploads/cif-deposit/cod/cif Adding structures of 2229405 via cif-deposit CGI script.	2229405.cif