Crystallography Open Database

Information card for entry 7208648

7208647 << 7208648 >> 7208649

Preview

Coordinates	7208648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Mn2 N6 O12
Calculated formula	C38 H38 Mn2 N6 O12
Title of publication	Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes
Authors of publication	Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6548
a	10.182 ± 0.002 Å
b	10.773 ± 0.002 Å
c	20.706 ± 0.004 Å
α	89.93 ± 0.03°
β	77.78 ± 0.03°
γ	62.19 ± 0.03°
Cell volume	1950.9 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7208648.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208648.cif
71444	2013-01-20	cif/ Adding structures of 7208648, 7208649, 7208650, 7208651, 7208652, 7208653, 7208654, 7208655 via cif-deposit CGI script.	7208648.cif