Crystallography Open Database

Information card for entry 7214556

Preview

Coordinates	7214556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 N2 O7 Sr
Calculated formula	C13 H10 N2 O7 Sr
Title of publication	Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid
Authors of publication	Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9596
a	5.8966 ± 0.0003 Å
b	26.491 ± 0.0016 Å
c	9.3632 ± 0.0006 Å
α	90°
β	104.022 ± 0.002°
γ	90°
Cell volume	1419.01 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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
180476 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/45.	7214556.cif
110302	2014-04-18	cif/ Adding structures of 7214556, 7214557 via cif-deposit CGI script.	7214556.cif