Crystallography Open Database

Information card for entry 4300838

Preview

Coordinates	4300838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H21 Cl0.5 La N3 O9 P3
Calculated formula	C9 H21 Cl0.5 La N3 O9 P3
Title of publication	Two Closely Related Lanthanum Phosphonate Frameworks Formed by Anion-Directed Linking of Inorganic Chains
Authors of publication	John A. Groves; Paul A. Wright; Philip Lightfoot
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1736 - 1739
a	6.0394 ± 0.0012 Å
b	26.524 ± 0.005 Å
c	23.431 ± 0.005 Å
α	90°
β	93.71 ± 0.03°
γ	90°
Cell volume	3745.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0874
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.2114
Weighted residual factors for all reflections included in the refinement	0.2153
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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