Crystallography Open Database

Information card for entry 7024338

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Structure parameters

Formula	C41 H50 Cl Ge N2 P
Calculated formula	C41 H50 Cl Ge N2 P
SMILES	[Ge]1(Cl)[P](c2ccccc2)(c2ccccc2)C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C(=N\c1c(cccc1C(C)C)C(C)C)\C
Title of publication	Synthesis of phosphine substituted beta-diketiminate based isomeric Ge(II) complexes.
Authors of publication	Reddy, N. Dastagiri; Jana, Anukul; Roesky, Herbert W.; Samuel, Prinson P.; Schulzke, Carola
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	1
Pages of publication	234 - 238
a	11.003 ± 0.002 Å
b	11.678 ± 0.002 Å
c	16.335 ± 0.003 Å
α	86.03 ± 0.03°
β	87.29 ± 0.03°
γ	67.4 ± 0.03°
Cell volume	1932.6 ± 0.7 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0467
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7024338.cif
179948	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43.	7024338.cif
92421	2014-01-12	cif/ Adding structures of 7024337, 7024338 via cif-deposit CGI script.	7024338.cif