Crystallography Open Database

Information card for entry 7133698

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Coordinates	7133698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H138 Ca2 N2 O3
Calculated formula	C102 H138 Ca2 N2 O3
Title of publication	CO reduction by calcium and ytterbium hydride complexes with a bulky monodentate carbazolyl ligand.
Authors of publication	Hinz, Alexander; Winkler, Lucas; Sun, Xiaofei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	80
Pages of publication	11291 - 11294
a	17.5438 ± 0.0005 Å
b	21.5053 ± 0.0004 Å
c	26.0497 ± 0.0007 Å
α	90°
β	106.954 ± 0.002°
γ	90°
Cell volume	9401 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0688
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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