Crystallography Open Database

Information card for entry 7242286

Preview

Coordinates	7242286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 F6 N6 O2 P Re
Calculated formula	C28 H36 F6 N6 O2 P Re
SMILES	[Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)([n]1ccn(c1)C)([n]1ccn(c1)C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes
Authors of publication	Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	13
Pages of publication	7511 - 7520
a	12.3996 ± 0.0003 Å
b	13.8863 ± 0.0003 Å
c	19.1424 ± 0.0005 Å
α	90°
β	100.747 ± 0.002°
γ	90°
Cell volume	3238.21 ± 0.14 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	7
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	0.0359
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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
262019 (current)	2021-02-17	cif/ Adding structures of 7242283, 7242284, 7242285, 7242286, 7242287, 7242288, 7242289, 7242290, 7242291 via cif-deposit CGI script.	7242286.cif