Crystallography Open Database

Information card for entry 7041520

Preview

Coordinates	7041520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 F6 N5 O4 P Re
Calculated formula	C21 H19 F6 N5 O4 P Re
Title of publication	Influence of bidentate ligand donor types on the formation and stability in 2 + 1 fac-[M(I)(CO)3](+) (M = Re, (99m)Tc) complexes.
Authors of publication	Hayes, Thomas R.; Bottorff, Shalina C.; Slocumb, Winston S.; Barnes, Charles L.; Clark, Aurora E.; Benny, Paul D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	4
Pages of publication	1134 - 1144
a	28.753 ± 0.006 Å
b	14.023 ± 0.003 Å
c	14.055 ± 0.003 Å
α	90°
β	113.768 ± 0.002°
γ	90°
Cell volume	5186.4 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0514
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
191617 (current)	2017-02-04	cif/ Updating files of 7041518, 7041519, 7041520, 7041521 Original log message: Adding full bibliography for 7041518--7041521.cif.	7041520.cif
189294	2016-12-21	cif/ Adding structures of 7041518, 7041519, 7041520, 7041521 via cif-deposit CGI script.	7041520.cif