Crystallography Open Database

Information card for entry 1513023

Preview

Coordinates	1513023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H9 Mn0.5 N2 O3
Calculated formula	C7 H9 Mn0.5 N2 O3
Title of publication	Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities
Authors of publication	Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	397
Pages of publication	48 - 59
a	14.1319 ± 0.001 Å
b	12.057 ± 0.0009 Å
c	14.3037 ± 0.0009 Å
α	90°
β	134.955 ± 0.005°
γ	90°
Cell volume	1724.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0592
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1513023.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1513023.cif
91349	2013-12-12	cif/ Adding structures of 1513023 via cif-deposit CGI script.	1513023.cif