Crystallography Open Database

Information card for entry 8106088

Preview

Coordinates	8106088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H48 Ca2 Cl8 N4 O12
Calculated formula	C56 H48 Ca2 Cl8 N4 O12
Title of publication	Crystal structure of catena-poly[diaqua-bis(μ2-2-(2-((2,6-dichlorophenyl)amino)phenyl)acetato-κ3 O,O′:O′)calcium(II)], C56H48N4Ca2Cl8O12
Authors of publication	Duan, Ying; Li, Shi-Hui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	169 - 171
a	16.776 ± 0.008 Å
b	24.193 ± 0.012 Å
c	7.657 ± 0.004 Å
α	90°
β	101.11 ± 0.007°
γ	90°
Cell volume	3049 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.16
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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