Crystallography Open Database

Information card for entry 4309307

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Coordinates	4309307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H38 Lu N4 O15 P
Calculated formula	C15 H24 Lu N4 O15 P
Title of publication	Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants
Authors of publication	Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5591 - 5599
a	8.732 ± 0.0002 Å
b	9.313 ± 0.0002 Å
c	16.883 ± 0.0004 Å
α	82.742 ± 0.001°
β	83.364 ± 0.001°
γ	68.355 ± 0.001°
Cell volume	1262.36 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0565
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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