Crystallography Open Database

Information card for entry 1572696

1572695 << 1572696 >> 2000000

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Coordinates	1572696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H58 Cu4 N8 O14
Calculated formula	C64 H58 Cu4 N8 O14
Title of publication	Copper Cluster Complex Catalyzed C-S bond Formation
Authors of publication	Chang Liao, Nien-Chi; Basha, Sidick R.; Shih, Bo-Hao; Liu, Chia-Chun; Wang, Miao-Han; Lin, Po-Heng; Lee, Chin-Fa
Journal of publication	Catalysis Science & Technology
Year of publication	2024
a	24.8301 ± 0.0013 Å
b	11.1779 ± 0.0006 Å
c	25.5838 ± 0.001 Å
α	90°
β	117.139 ± 0.003°
γ	90°
Cell volume	6319 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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