Crystallography Open Database

Information card for entry 4337271

Preview

Coordinates	4337271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.75 H46 Gd2 N12 O10.75 S3
Calculated formula	C49.75 H46 Gd2 N9 O10.75 S3
Title of publication	Structural rearrangement through lanthanide contraction in dinuclear complexes.
Authors of publication	Hutchings, Amy-Jayne; Habib, Fatemah; Holmberg, Rebecca J.; Korobkov, Ilia; Murugesu, Muralee
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	4
Pages of publication	2102 - 2112
a	11.7591 ± 0.0003 Å
b	14.9848 ± 0.0003 Å
c	19.0708 ± 0.0004 Å
α	108.135 ± 0.001°
β	99.899 ± 0.001°
γ	105.668 ± 0.001°
Cell volume	2952.07 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0427
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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