Crystallography Open Database

Information card for entry 7018270

Preview

Coordinates	7018270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 Br2 Cd N5 O
Calculated formula	C28 H31 Br2 Cd N5 O
Title of publication	Supramolecular isomerism and solvatomorphism in a novel coordination compound.
Authors of publication	du Plessis, Marike; Barbour, Leonard J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	14
Pages of publication	3895 - 3898
a	15.1378 ± 0.0011 Å
b	10.9825 ± 0.0008 Å
c	18.4356 ± 0.0013 Å
α	90°
β	112.655 ± 0.001°
γ	90°
Cell volume	2828.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179886 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/82.	7018270.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018270.cif
52019	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018268, 7018269, 7018270 via cif-deposit CGI script.	7018270.cif