Crystallography Open Database

Information card for entry 4511698

Preview

Coordinates	4511698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Cd5 Cl12 N2 O5
Calculated formula	C14 H20 Cd5 Cl12 N2 O5
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	9.8733 ± 0.0005 Å
b	20.4901 ± 0.0011 Å
c	17.2559 ± 0.0008 Å
α	90°
β	94.89 ± 0.005°
γ	90°
Cell volume	3478.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.1271
Residual factor for significantly intense reflections	0.114
Weighted residual factors for significantly intense reflections	0.2728
Weighted residual factors for all reflections included in the refinement	0.2954
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4511698.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.	4511698.cif
120820	2014-07-27	cif/ Adding structures of 4511696, 4511697, 4511698, 4511699, 4511700, 4511701, 4511702, 4511703 via cif-deposit CGI script.	4511698.cif