Crystallography Open Database

Information card for entry 1550600

Preview

Coordinates	1550600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 Cl2 Ge2 N4 O2
Calculated formula	C30 H46 Cl2 Ge2 N4 O2
SMILES	[Ge]12(Cl)(O[Ge]3(Cl)(O1)N(C1=CC=CC=CC1=[N]3CC(C)C)CC(C)C)[N](=C1C=CC=CC=C1N2CC(C)C)CC(C)C
Title of publication	Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity
Authors of publication	Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran
Journal of publication	Chemical Science
Year of publication	2019
a	8.2234 ± 0.0014 Å
b	10.4654 ± 0.0017 Å
c	11.0901 ± 0.0019 Å
α	105.331 ± 0.003°
β	105.474 ± 0.003°
γ	104.265 ± 0.003°
Cell volume	833.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.036
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0798
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
213691 (current)	2019-02-19	cif/ Adding structures of 1550600, 1550601, 1550602, 1550603, 1550604, 1550605, 1550606, 1550607, 1550608, 1550609, 1550610, 1550611, 1550612 via cif-deposit CGI script.	1550600.cif