Crystallography Open Database

Information card for entry 4301152

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Structure parameters

Formula	C52 H80 Ca K2 N4 O4
Calculated formula	C52 H80 Ca K2 N4 O4
SMILES	c1ccccc1N(C(C)C)[Ca](N(c1ccccc1)C(C)C)(N(c1ccccc1)C(C)C)N(c1ccccc1)C(C)C.[K]([O]1CCCC1)[O]1CCCC1.[K]([O]1CCCC1)[O]1CCCC1
Title of publication	Alkyl-Substituted Amides as Ligands in Homometallic and Heterobimetallic Calcium Complexes
Authors of publication	Matthias Westerhausen; Carsten Glock; Helmar Görls
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	394 - 399
a	18.0194 ± 0.0008 Å
b	18.0194 ± 0.0008 Å
c	16.4929 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5355.2 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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