Crystallography Open Database

Information card for entry 2214219

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2214219.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetrakis(1,10-phenanthroline)calcium(II) bis(perchlorate) 4-(dimethylamino)benzaldehyde disolvate
Formula	C66 H54 Ca Cl2 N10 O10
Calculated formula	C66 H54 Ca Cl2 N10 O10
Title of publication	Tetrakis(1,10-phenanthroline)calcium(II) bis(perchlorate) 4-(dimethylamino)benzaldehyde disolvate
Authors of publication	Xi-Shi Tai; Jie Yin; Ming-Yang Hao
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1827 - m1827
a	17.455 ± 0.003 Å
b	17.455 ± 0.003 Å
c	38.952 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	11868 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.2233
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.3877
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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