Crystallography Open Database

Information card for entry 1567676

Preview

Coordinates	1567676.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DPMGePh
Formula	C39 H36 Ge N2
Calculated formula	C39 H36 Ge N2
SMILES	[Ge]1([n]2c(=C(c3n1c(c1c(cc(cc1C)C)C)cc3)c1ccccc1)ccc2c1c(cc(cc1C)C)C)c1ccccc1
Title of publication	Air and water stable germacarbonyl compounds
Authors of publication	Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	42
Pages of publication	12382 - 12388
a	15.0811 ± 0.0006 Å
b	11.4764 ± 0.0004 Å
c	18.5521 ± 0.0007 Å
α	90°
β	90.197 ± 0.001°
γ	90°
Cell volume	3210.9 ± 0.2 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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
278976 (current)	2022-11-07	cif/ Updating files of 1567676, 1567677, 1567678, 1567679, 1567680, 1567681, 1567682, 1567683, 1567684, 1567685, 1567686 Original log message: Adding full bibliography for 1567676--1567686.cif.	1567676.cif
278089	2022-09-23	cif/ Adding structures of 1567676, 1567677, 1567678, 1567679, 1567680, 1567681, 1567682, 1567683, 1567684, 1567685, 1567686 via cif-deposit CGI script.	1567676.cif