Crystallography Open Database

Information card for entry 7063237

Preview

Coordinates	7063237.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1
Formula	C50 H44 Cu2 I2 N4 S2
Calculated formula	C50 H44 Cu2 I2 N4 S2
Title of publication	Discrete Copper(I) Chalcogenones with Metal-Metal Interaction
Authors of publication	Mandal, Suman; Harijan, Dinesh; Kumari, Kusum; Singh, Saurabh Kumar; Rengan, Aravind Kumar; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	10.4449 ± 0.0003 Å
b	11.2293 ± 0.0003 Å
c	21.4005 ± 0.0006 Å
α	93.504 ± 0.001°
β	94.216 ± 0.001°
γ	111.422 ± 0.001°
Cell volume	2319.83 ± 0.11 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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