Crystallography Open Database

Information card for entry 1506414

Preview

Coordinates	1506414.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-Bromo-3-(1'H-indol-3'-yl)-maleimide
Formula	C12 H7 Br N2 O2
Calculated formula	C12 H7 Br N2 O2
Title of publication	Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen.
Authors of publication	Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M
Journal of publication	The journal of physical chemistry. A
Year of publication	2005
Journal volume	109
Journal issue	42
Pages of publication	9443 - 9455
a	7.483 ± 0.001 Å
b	7.636 ± 0.002 Å
c	18.212 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1040.6 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
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	0.088
Residual factor for significantly intense reflections	0.087
Weighted residual factors for all reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections	0.938
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1506414.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506414.cif
50294	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506414 via cif-deposit CGI script.	1506414.cif