Crystallography Open Database

Information card for entry 1507925

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Structure parameters

Formula	C25 H20 Br2 O2
Calculated formula	C25 H20 Br2 O2
SMILES	BrCc1c2OCCOc3c(c4ccccc4cc3CBr)Cc2c2ccccc2c1
Title of publication	Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity
Authors of publication	Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	391
Pages of publication	189 - 194
a	4.8 ± 0.0002 Å
b	23.571 ± 0.002 Å
c	18.571 ± 0.002 Å
α	90°
β	101.927 ± 0.005°
γ	90°
Cell volume	2055.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0978
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507925.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507925.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507925.cif
62471	2012-07-09	cif/ Adding structures of 1507925 via cif-deposit CGI script.	1507925.cif