Crystallography Open Database

Information card for entry 7059114

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Coordinates	7059114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 Br2 Cu2 N10
Calculated formula	C32 H42 Br2 Cu2 N10
Title of publication	New types of Cu and Ag clusters supported by the pyrrole-based NNN-pincer type ligand
Authors of publication	Jana, Oishi; Mani, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2017
Journal volume	41
Journal issue	17
Pages of publication	9361
a	19.356 ± 0.008 Å
b	10.206 ± 0.004 Å
c	17.726 ± 0.008 Å
α	90°
β	93.422 ± 0.014°
γ	90°
Cell volume	3495 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
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	0.0804
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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