Crystallography Open Database

Information card for entry 4315175

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Structure parameters

Formula	C44 H56 I2 N2 O2 Sm
Calculated formula	C44 H56 I2 N2 O2 Sm
Title of publication	One- and Two-Electron-Transfer Reactions of (dpp-Bian)Sm(dme)3
Authors of publication	Igor L. Fedushkin; Olga V. Maslova; Markus Hummert; Herbert Schumann
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2901 - 2910
a	11.516 ± 0.005 Å
b	17.618 ± 0.005 Å
c	21.407 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4343 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1043
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	1.185
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4315175.cif
179231	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/51.	4315175.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315175.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315175.cif
8318	2011-02-04	../uploads/cif-deposit/cod/cif Adding structures of 4315175 via cif-deposit CGI script.	4315175.cif