Crystallography Open Database

Information card for entry 7203109

7203108 << 7203109 >> 7203110

Preview

Coordinates	7203109.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)
Chemical name	Tetrakis(?2-2-nitrobenzoato-O,O?)-diaqua-di-copper(ii)
Formula	C28 H20 Cu2 N4 O18
Calculated formula	C28 H20 Cu2 N4 O18
Title of publication	Three crystal forms of tetrakis(μ<small><sub>2</sub></small>-2-nitrobenzoato-<i>O</i>,<i>O</i>′)-diaqua-di-copper(<small>II</small>)
Authors of publication	Zvicka Deutsch; Janice M. Rubin-Preminger; Joel Bernstein; James Y. Becker
Journal of publication	CrystEngComm
Year of publication	2006
Pages of publication	41 - 50
a	26.561 ± 0.003 Å
b	7.4708 ± 0.0009 Å
c	16.6522 ± 0.0019 Å
α	90°
β	106.51 ± 0.003°
γ	90°
Cell volume	3168.1 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK\α
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180362 (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 7/20/31.	7203109.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7203109.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203109.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203109.cif