Crystallography Open Database

Information card for entry 7040843

Preview

Coordinates	7040843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 Cu12 I8 N8 S4
Calculated formula	C40 H28 Cu12 I8 N8 S4
Title of publication	Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.
Authors of publication	Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	44
Pages of publication	17759 - 17769
a	12.51 ± 0.0009 Å
b	9.4515 ± 0.0006 Å
c	12.0472 ± 0.0009 Å
α	90°
β	107.004 ± 0.008°
γ	90°
Cell volume	1362.17 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.0524
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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