Crystallography Open Database

Information card for entry 7103623

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Coordinates	7103623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H74 Ca N3 O Si2
Calculated formula	C42 H74 Ca N3 O Si2
Title of publication	Lactide polymerization by well-defined calcium coordination complexes: comparisons with related magnesium and zinc chemistry
Authors of publication	Chisholm, Malcolm H.; Gallucci, Judith; Phomphrai, Khamphee
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	1
Pages of publication	48 - 49
a	11.912 ± 0.0001 Å
b	13.2215 ± 0.0001 Å
c	16.8877 ± 0.0001 Å
α	70.15 ± 0.001°
β	80.422 ± 0.001°
γ	63.507 ± 0.001°
Cell volume	2238.64 ± 0.03 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for all reflections	0.1362
Weighted residual factors for significantly intense reflections	0.1261
Goodness-of-fit parameter for all reflections	1.044
Goodness-of-fit parameter for significantly intense reflections	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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