Crystallography Open Database

Information card for entry 4506974

Preview

Coordinates	4506974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H112 Mn3 N10 O31
Calculated formula	C82 H110 Mn3 N10 O31
Title of publication	Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks
Authors of publication	Yi, Fei-Yan; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5693
a	26.418 ± 0.0014 Å
b	10.3733 ± 0.0006 Å
c	34.2804 ± 0.0018 Å
α	90°
β	103.138 ± 0.001°
γ	90°
Cell volume	9148.4 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
179605 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69.	4506974.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506974.cif
71908	2013-01-21	cif/ Adding structures of 4506973, 4506974, 4506975 via cif-deposit CGI script.	4506974.cif