Crystallography Open Database

Information card for entry 4324127

Preview

Coordinates	4324127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Br Cu4 N9
Calculated formula	C36 H42 Br Cu4 N9
Title of publication	Trinuclear-based Copper(I) Pyrazolate Polymers: Effect of Trimer π-Acid...Halide/Pseudohalide Interactions on the Supramolecular Structure and Phosphorescence
Authors of publication	Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Hai-Hua Wang; Lin Cui; Peng-Xiang Chen; Qi-Zhen Shi
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	261 - 270
a	15.06 ± 0.006 Å
b	19.446 ± 0.007 Å
c	14.059 ± 0.008 Å
α	90°
β	112.943 ± 0.004°
γ	90°
Cell volume	3792 ± 3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1533
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4324127.html