Crystallography Open Database

Information card for entry 4503020

Preview

Coordinates	4503020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 Mn3 O14
Calculated formula	C44 H30 Mn3 O14
Title of publication	Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand
Authors of publication	Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	2
Pages of publication	1022
a	29.722 ± 0.006 Å
b	13.552 ± 0.002 Å
c	18.68 ± 0.004 Å
α	90°
β	124.54 ± 0.006°
γ	90°
Cell volume	6198 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0679
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4503020.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503020.cif
37828	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4503019, 4503020, 4503021, 4503022, 4503023 via cif-deposit CGI script.	4503020.cif