Crystallography Open Database

Information card for entry 4324679

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Structure parameters

Formula	C36 H81 N3 O12 P3 Sm
Calculated formula	C36 H81 N3 O12 P3 Sm
Title of publication	Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures
Authors of publication	Allen Bowden; Peter N. Horton; Andrew W. G. Platt
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2553 - 2561
a	15.247 ± 0.0005 Å
b	15.247 ± 0.0005 Å
c	43.4821 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	10108.3 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1418
Residual factor for significantly intense reflections	0.0826
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4324679.cif
179349	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46.	4324679.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324679.cif
42901	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324679 via cif-deposit CGI script.	4324679.cif