Crystallography Open Database

Information card for entry 4506973

Preview

Coordinates	4506973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76 Mn3 N4 O23
Calculated formula	C68 H64 Mn3 N4 O23
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	24 ± 0.003 Å
b	11.0768 ± 0.0014 Å
c	34.991 ± 0.005 Å
α	90°
β	99.66 ± 0.002°
γ	90°
Cell volume	9170 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0793
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1942
Weighted residual factors for all reflections included in the refinement	0.207
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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.	4506973.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506973.cif
71908	2013-01-21	cif/ Adding structures of 4506973, 4506974, 4506975 via cif-deposit CGI script.	4506973.cif