Crystallography Open Database

Information card for entry 4339424

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Coordinates	4339424.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(DIPP-nacnac)CaNH2.(NH3)2
Formula	C29 H49 Ca N5
Calculated formula	C29 H49 Ca N5
Title of publication	Big ligands for stabilization of small functionalities in calcium chemistry.
Authors of publication	Ruspic, Christian; Harder, Sjoerd
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	24
Pages of publication	10426 - 10433
a	9.1128 ± 0.0003 Å
b	12.7164 ± 0.0005 Å
c	14.2182 ± 0.0005 Å
α	107.305 ± 0.002°
β	104.709 ± 0.002°
γ	93.217 ± 0.002°
Cell volume	1505.96 ± 0.1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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