Crystallography Open Database

Information card for entry 2241809

Preview

Structure parameters

Common name	Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)
Chemical name	Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]tricyclo[3.3.1.1^3,7^]\ decane}rhenium(I)
Formula	C19 H20 Cl N2 O3 Re
Calculated formula	C19 H20 Cl N2 O3 Re
SMILES	[Re]1(Cl)([N](C23CC4CC(C2)CC(C4)C3)=Cc2[n]1cccc2)(C#[O])(C#[O])C#[O]
Title of publication	Synthesis and crystal structure of tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)
Authors of publication	Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	9
Pages of publication	1276 - 1279
a	6.955 ± 0.0006 Å
b	21.7483 ± 0.0019 Å
c	12.4482 ± 0.0011 Å
α	90°
β	94.509 ± 0.001°
γ	90°
Cell volume	1877.1 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0501
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
185713 (current)	2016-08-10	cif/ hkl/ Adding structures of 2241809 via cif-deposit CGI script.	2241809.cif 2241809.hkl