Crystallography Open Database

Information card for entry 7009216

Preview

Coordinates	7009216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.6 H48.4 Br2 Cu N18.8 O14
Calculated formula	C19.6 H48.4 Br2 Cu N18.8 O14
Title of publication	Modification of supramolecular motifs: perturbation of the structure of an extended hydrogen-bonded biuret array by interaction with an intercalated copper complex and methanol molecules †
Authors of publication	Bishop, Michael M.; Lindoy, Leonard F.; Mahadev, Srihari; Turner, Peter
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	3
Pages of publication	233
a	17.1111 ± 0.0007 Å
b	18.1222 ± 0.0007 Å
c	13.4364 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4166.5 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.0531
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009216.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009216.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009216.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009216.cif