Crystallography Open Database

Information card for entry 4508420

Preview

Coordinates	4508420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Mn2 Mo N8 O3
Calculated formula	C9 H4 Mn2 Mo N8 O3
Title of publication	Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties
Authors of publication	Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	12
Pages of publication	5211
a	17.0077 ± 0.0012 Å
b	21.9812 ± 0.0015 Å
c	13.0699 ± 0.0009 Å
α	90°
β	127.521 ± 0.003°
γ	90°
Cell volume	3875.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	4508420.cif
91458	2013-12-13	cif/ Adding structures of 4508420 via cif-deposit CGI script.	4508420.cif