Crystallography Open Database

Information card for entry 7133700

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Coordinates	7133700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H83 Ca N
Calculated formula	C66 H83 Ca N
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	13.7368 ± 0.0008 Å
b	16.077 ± 0.0008 Å
c	16.7076 ± 0.0011 Å
α	103.641 ± 0.004°
β	110.348 ± 0.005°
γ	113.208 ± 0.004°
Cell volume	2866.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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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