Crystallography Open Database

Information card for entry 4513427

Preview

Coordinates	4513427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Br2 Cl4 Cu2 N2
Calculated formula	C10 H8 Br2 Cl4 Cu2 N2
Title of publication	Dual Behavior of Bromine Atoms in Supramolecular Chemistry: The Crystal Structure and Magnetic Properties of Two Copper(II) Coordination Polymers
Authors of publication	Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan; Turnbull, Mark M.; Landee, Christopher P.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	3746
a	15.749 ± 0.002 Å
b	9.2252 ± 0.0015 Å
c	12.014 ± 0.0018 Å
α	90°
β	102.969 ± 0.013°
γ	90°
Cell volume	1701 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513427.cif
154548	2015-09-05	cif/ Updating files of 4513427, 4513428 Original log message: Adding full bibliography for 4513427--4513428.cif.	4513427.cif
152258	2015-07-18	cif/ Adding structures of 4513427 via cif-deposit CGI script.	4513427.cif