Crystallography Open Database

Information card for entry 7209600

7209599 << 7209600 >> 7209601

Preview

Coordinates	7209600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H7 Mn N3 O5
Calculated formula	C11 H7 Mn N3 O5
Title of publication	Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties
Authors of publication	Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	20
Pages of publication	4107
a	11.4084 ± 0.0016 Å
b	11.115 ± 0.0016 Å
c	8.8184 ± 0.0012 Å
α	90°
β	92.036 ± 0.002°
γ	90°
Cell volume	1117.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180427 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/96.	7209600.cif
86050	2013-05-09	cif/ Adding structures of 7209598, 7209599, 7209600, 7209601 via cif-deposit CGI script.	7209600.cif