Crystallography Open Database

Information card for entry 1568014

Preview

Coordinates	1568014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Cl3 P2 Re
Calculated formula	C32 H36 Cl3 P2 Re
SMILES	[C]1(#[C]([Re]1([P](C)(c1ccccc1)c1ccccc1)(Cl)(Cl)([P](C)(c1ccccc1)c1ccccc1)Cl)CC)CC
Title of publication	Synthesis and characterization of bi(metallacycloprop-1-ene) complexes.
Authors of publication	Bai, Wei; Tsang, Long Yiu; Wang, Yilun; Li, Yang; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen
Journal of publication	Chemical science
Year of publication	2022
Journal volume	14
Journal issue	1
Pages of publication	96 - 102
a	11.082 ± 0.0002 Å
b	18.4374 ± 0.0003 Å
c	15.6667 ± 0.0003 Å
α	90°
β	107.276 ± 0.002°
γ	90°
Cell volume	3056.66 ± 0.1 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
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	0.0174
Residual factor for significantly intense reflections	0.0167
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281339 (current)	2023-03-04	cif/ Updating files of 1568013, 1568014, 1568015 Original log message: Adding full bibliography for 1568013--1568015.cif.	1568014.cif
279549	2022-11-25	cif/ Adding structures of 1568013, 1568014, 1568015 via cif-deposit CGI script.	1568014.cif