Crystallography Open Database

Information card for entry 4077214

Preview

Coordinates	4077214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H156 Mg5 N14 O21 P2
Calculated formula	C76 H156 Mg5 N14 O21 P2
Title of publication	Steric and Solvent Effects on the CO2Fixation of Magnesium Compounds
Authors of publication	Yang, Kuo-Ching; Chang, Chung-Cheng; Yeh, Charng-Sheng; Lee, Gene-Hsiang; Peng, Shie-Ming
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	1
Pages of publication	126
a	16.6733 ± 0.0003 Å
b	23.0033 ± 0.0004 Å
c	27.189 ± 0.0002 Å
α	90°
β	92.876 ± 0.001°
γ	90°
Cell volume	10415 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for all reflections	0.2045
Weighted residual factors for significantly intense reflections	0.1864
Goodness-of-fit parameter for all reflections	1.045
Goodness-of-fit parameter for significantly intense reflections	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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