Crystallography Open Database

Information card for entry 7220696

7220695 << 7220696 >> 7220697

Preview

Coordinates	7220696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Cd N12 O8
Calculated formula	C22 H22 Cd N12 O8
Title of publication	Anion triggered and solvent assisted structural diversity and reversible single-crystal-to-single-crystal (SCSC) transformation between 1D and 2D coordination polymers
Authors of publication	Tripathi, Sarita; Srirambalaji, Renganathan; Patra, Samir; Anantharaman, Ganapathi
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	46
Pages of publication	8876
a	8.6147 ± 0.0006 Å
b	16.5484 ± 0.0012 Å
c	9.3691 ± 0.0007 Å
α	90°
β	93.617 ± 0.001°
γ	90°
Cell volume	1332.99 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0573
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220696.cif
173737	2016-01-09	cif/ Updating files of 7220696, 7220697, 7220698, 7220699 Original log message: Adding full bibliography for 7220696--7220699.cif.	7220696.cif
138960	2015-06-09	cif/ Adding structures of 7220696, 7220697, 7220698, 7220699 via cif-deposit CGI script.	7220696.cif