Crystallography Open Database

Information card for entry 4516107

Preview

Coordinates	4516107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H75 Cu10 I14 N5
Calculated formula	C46 H75 Cu10 I14 N5
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	33.6214 ± 0.0015 Å
b	10.7706 ± 0.0005 Å
c	25.1921 ± 0.0012 Å
α	90°
β	124.618 ± 0.001°
γ	90°
Cell volume	7507.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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