Crystallography Open Database

Information card for entry 7206498

7206497 << 7206498 >> 7206499

Preview

Coordinates	7206498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Mn2 N6 Na O22.5 S6
Calculated formula	C36 H18 Mn2 N6 Na O22.5 S6
Title of publication	A disulfide ligand with axial chirality generated in situ for the construction of an unusual hxg topological coordination polymer
Authors of publication	Yuan, Ning; Sheng, Tianlu; Zhang, Jian; Tian, Chongbin; Hu, Shengmin; Huang, Xihe; Wang, Fei; Wu, Xintao
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5951
a	21.9371 ± 0.0008 Å
b	21.9371 ± 0.0008 Å
c	21.9371 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10556.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	222
Hermann-Mauguin space group symbol	P n -3 n :2
Hall space group symbol	-P 4a 2bc 3
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.2489
Weighted residual factors for all reflections included in the refinement	0.2551
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206498.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206498.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206498.cif
27999	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206498 via cif-deposit CGI script.	7206498.cif