Crystallography Open Database

Information card for entry 4320971

4320970 << 4320971 >> 4320972

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Structure parameters

Formula	C37 H53 Ca N7
Calculated formula	C37 H53 Ca N7
Title of publication	Synthesis and Characterization of Calcium Complexes Containing η2-Pyrazolato Ligands
Authors of publication	Dirk Pfeiffer; Mary Jane Heeg; Charles H. Winter
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2377 - 2384
a	15.323 ± 0.0004 Å
b	15.7572 ± 0.0004 Å
c	17.5494 ± 0.0005 Å
α	90°
β	109.657 ± 0.001°
γ	90°
Cell volume	3990.33 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1702
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for all reflections	0.2317
Weighted residual factors for significantly intense reflections	0.187
Goodness-of-fit parameter for all reflections	0.884
Goodness-of-fit parameter for significantly intense reflections	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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