Crystallography Open Database

Information card for entry 7702294

Preview

Coordinates	7702294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 Br2 Cd N2 O
Calculated formula	C5 H14 Br2 Cd N2 O
Title of publication	Flexibility in co-ordinative behaviour of N-(3-hydroxypropyl)ethane-1,2-diamine toward cadmium(ii) halides: syntheses, crystal structures and solid state thermal studies
Authors of publication	Inamur Rahaman Laskar; Golam Mostafa; Tapas Kumar Maji; Debasis Das; Alan J. Welch; Nirmalendu Ray Chaudhuri
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Pages of publication	1066 - 1071
a	9.113 ± 0.003 Å
b	7.187 ± 0.003 Å
c	16.42 ± 0.005 Å
α	90°
β	106.03 ± 0.03°
γ	90°
Cell volume	1033.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0359
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
288183 (current)	2023-12-08	cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name.	7702294.cif
243818	2019-11-28	cif/ Adding structures of 7702293, 7702294, 7702295 via cif-deposit CGI script.	7702294.cif