Crystallography Open Database

Information card for entry 4084513

Preview

Coordinates	4084513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H74 Ca N8 P4
Calculated formula	C40 H74 Ca N8 P4
Title of publication	Synthesis and Structural Characterization of Homoleptic 1,2,4-Diazaphospholide Alkaline Earth Metal Complexes
Authors of publication	Liu, Dongling; Wang, Yongli; Pi, Chengfu; Zheng, Wenjun
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	6013
a	13.7274 ± 0.0012 Å
b	19.7191 ± 0.0015 Å
c	20.0531 ± 0.0018 Å
α	90°
β	106.717 ± 0.009°
γ	90°
Cell volume	5198.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0991
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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