Crystallography Open Database

Information card for entry 4320972

4320971 << 4320972 >> 4320973

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Structure parameters

Formula	C28 H54 Ca N6
Calculated formula	C28 H54 Ca N6
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	28.4089 ± 0.001 Å
b	15.4992 ± 0.0004 Å
c	19.166 ± 0.0006 Å
α	90°
β	127.4 ± 0.001°
γ	90°
Cell volume	6704.1 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
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	0.1854
Residual factor for significantly intense reflections	0.0736
Weighted residual factors for all reflections	0.208
Weighted residual factors for significantly intense reflections	0.1656
Goodness-of-fit parameter for all reflections	0.975
Goodness-of-fit parameter for significantly intense reflections	1.204
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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