Crystallography Open Database

Information card for entry 7242291

Preview

Coordinates	7242291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 F6 N5 O2 P Re
Calculated formula	C29 H35 F6 N5 O2 P Re
SMILES	[Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)([n]1cn(cc1)C)([n]1ccccc1)(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	32.1948 ± 0.001 Å
b	12.3447 ± 0.0003 Å
c	28.1669 ± 0.0009 Å
α	90°
β	144.094 ± 0.001°
γ	90°
Cell volume	6565.1 ± 0.4 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	7242291.cif