Crystallography Open Database

Information card for entry 4516110

Preview

Coordinates	4516110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cu3 I7 N2
Calculated formula	C18 H26 Cu3 I7 N2
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	9.1888 ± 0.0004 Å
b	11.3217 ± 0.0005 Å
c	16.2778 ± 0.0007 Å
α	73.591 ± 0.001°
β	77.461 ± 0.001°
γ	87.998 ± 0.001°
Cell volume	1585.08 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0159
Residual factor for significantly intense reflections	0.0148
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0371
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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