Crystallography Open Database

Information card for entry 4511697

Preview

Coordinates	4511697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 Cd Cl3 N O
Calculated formula	C7 H10 Cd Cl3 N O
Title of publication	Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks
Authors of publication	Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	8
Pages of publication	4124
a	7.7819 ± 0.0004 Å
b	11.6662 ± 0.0005 Å
c	12.4557 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1130.79 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.045
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511697.cif
122834	2014-09-06	cif/ Updating files of 4511696, 4511697, 4511698, 4511699, 4511700, 4511701, 4511702, 4511703 Original log message: Adding full bibliography for 4511696--4511703.cif.	4511697.cif
120820	2014-07-27	cif/ Adding structures of 4511696, 4511697, 4511698, 4511699, 4511700, 4511701, 4511702, 4511703 via cif-deposit CGI script.	4511697.cif