Crystallography Open Database

Information card for entry 4320101

4320100 << 4320101 >> 4320102

Preview

Coordinates	4320101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H91 B4 Cl3 Cu4 O S8
Calculated formula	C69 H81 B4 Cl3 Cu4 O S8
Title of publication	Structural Diversity in a Family of Copper(I) Thioether Complexes
Authors of publication	Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4276 - 4283
a	12.1588 ± 0.0002 Å
b	31.0044 ± 0.0003 Å
c	19.9278 ± 0.0003 Å
α	90°
β	94.023 ± 0.001°
γ	90°
Cell volume	7493.8 ± 0.18 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for all reflections	0.1898
Weighted residual factors for significantly intense reflections	0.1284
Goodness-of-fit parameter for all reflections	1.286
Goodness-of-fit parameter for significantly intense reflections	1.398
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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