Crystallography Open Database

Information card for entry 4345028

Preview

Coordinates	4345028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cl N2 O5 Re
Calculated formula	C32 H28 Cl N2 O5 Re
Title of publication	Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.
Authors of publication	Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1757 - 1769
a	13.9014 ± 0.0007 Å
b	6.8299 ± 0.0003 Å
c	15.2612 ± 0.0008 Å
α	90°
β	91.4735 ± 0.0018°
γ	90°
Cell volume	1448.5 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193455 (current)	2017-03-04	cif/ Updating files of 4345027, 4345028, 4345029 Original log message: Adding full bibliography for 4345027--4345029.cif.	4345028.cif
190445	2017-01-13	cif/ Adding structures of 4345027, 4345028, 4345029 via cif-deposit CGI script.	4345028.cif