Crystallography Open Database

Information card for entry 4309635

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Coordinates	4309635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 N8 O13 P3 Zn2
Calculated formula	C36 H41 N8 O13 P3 Zn2
Title of publication	Novel Zinc Phosphate Topologies Defined by Organic Ligands
Authors of publication	Jian Fan; Brian E. Hanson
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6998 - 7008
a	10.3187 ± 0.001 Å
b	13.6651 ± 0.0014 Å
c	16.1419 ± 0.0016 Å
α	102.047 ± 0.008°
β	108.58 ± 0.009°
γ	99.147 ± 0.008°
Cell volume	2046.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	0.939
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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