Crystallography Open Database

Information card for entry 4501934

4501933 << 4501934 >> 4501935

Preview

Coordinates	4501934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H11 Mn1.5 N2 O7
Calculated formula	C11 H11 Mn1.5 N2 O7
Title of publication	One Chiral and Two Achiral 3-D Coordination Polymers Constructed by 2-Phenyl Imidazole Dicarboxylate
Authors of publication	Wang, Wenyue; Niu, Xiling; Gao, Yongchao; Zhu, Yanyan; Li, Gang; Lu, Huijie; Tang, Mingsheng
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	4050
a	25.5178 ± 0.0003 Å
b	25.5178 ± 0.0003 Å
c	14.2324 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	8025.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4501934.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501934.cif
36169	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501934 via cif-deposit CGI script.	4501934.cif