Crystallography Open Database

Information card for entry 7208985

7208984 << 7208985 >> 7208986

Preview

Coordinates	7208985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 Cd N5 O4
Calculated formula	C20 H13 Cd N5 O4
Title of publication	Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages
Authors of publication	Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	2
Pages of publication	349
a	9.955 ± 0.006 Å
b	19.393 ± 0.011 Å
c	10.077 ± 0.006 Å
α	90°
β	108.59 ± 0.011°
γ	90°
Cell volume	1843.9 ± 1.9 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	0.0464
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	0.915
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
180420 (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 7/20/89.	7208985.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208985.cif
73555	2013-02-20	cif/ Adding structures of 7208984, 7208985 via cif-deposit CGI script.	7208985.cif