Crystallography Open Database

Information card for entry 7706479

Preview

Coordinates	7706479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H39 Cl3 F6 N14 O10 Re2
Calculated formula	C59 H39 Cl3 F6 N14 O10 Re2
Title of publication	Role of the ancillary ligand in controlling the lysozyme affinity and electronic properties of terpyridine <i>fac</i>-Re(CO)<sub>3</sub> complexes.
Authors of publication	Mansour, Ahmed M.; Radacki, Krzysztof; Shehab, Ola R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	4
Pages of publication	1197 - 1201
a	14.505 ± 0.003 Å
b	14.735 ± 0.004 Å
c	16.023 ± 0.004 Å
α	70.934 ± 0.019°
β	70.211 ± 0.019°
γ	82.934 ± 0.013°
Cell volume	3045.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
261659 (current)	2021-02-05	cif/ Updating files of 7706479 Original log message: Adding full bibliography for 7706479.cif.	7706479.cif
261135	2021-01-22	cif/ Adding structures of 7706479 via cif-deposit CGI script.	7706479.cif