Crystallography Open Database

Information card for entry 7029480

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Structure parameters

Formula	C37 H48 Ge N2
Calculated formula	C37 H48 Ge N2
SMILES	[Ge]1N([C@@H](C2=C(N1c1c(C(C)C)cccc1C(C)C)CCCC2)c1ccccc1)c1c(cccc1C(C)C)C(C)C
Title of publication	Mechanistic studies of CO2 reduction to methanol mediated by an N-heterocyclic germylene hydride.
Authors of publication	Tan, Gengwen; Wang, Wenyuan; Blom, Burgert; Driess, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6006 - 6011
a	9.0288 ± 0.0005 Å
b	9.0787 ± 0.0004 Å
c	11.5349 ± 0.0006 Å
α	71.459 ± 0.004°
β	80.307 ± 0.004°
γ	65.603 ± 0.005°
Cell volume	815.64 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	7029480.cif
180000	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 7/02/94.	7029480.cif
108319	2014-03-30	cif/ Adding structures of 7029480, 7029481, 7029482, 7029483 via cif-deposit CGI script.	7029480.cif