Crystallography Open Database

Information card for entry 4516108

Preview

Coordinates	4516108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H29 Cl2 Cu5 I7 N3
Calculated formula	C20 H29 Cl2 Cu5 I7 N3
Title of publication	Alkyl Pyridinium Iodocuprate(I) Clusters: Structural Types and Charge Transfer Behavior.
Authors of publication	Wheaton, Amelia M.; Streep, Michaela E.; Ohlhaver, Christopher M.; Nicholas, Aaron D.; Barnes, Francis H.; Patterson, Howard H.; Pike, Robert D.
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	11
Pages of publication	15281 - 15292
a	14.4604 ± 0.001 Å
b	10.8225 ± 0.0007 Å
c	25.1937 ± 0.0017 Å
α	90°
β	106.194 ± 0.001°
γ	90°
Cell volume	3786.3 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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