Crystallography Open Database

Information card for entry 7059020

Preview

Coordinates	7059020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H22 Br2 Fe2 N4 O6 Ru2
Calculated formula	C38 H22 Br2 Fe2 N4 O6 Ru2
Title of publication	Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12
Authors of publication	Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	48
Pages of publication	19075 - 19084
a	10.3905 ± 0.0015 Å
b	13.625 ± 0.002 Å
c	14.473 ± 0.002 Å
α	114.58 ± 0.005°
β	95.293 ± 0.005°
γ	99.218 ± 0.005°
Cell volume	1810.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0259
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7059020.cif
225388	2019-11-08	cif/ Adding structures of 7059020, 7059021, 7059022, 7059023, 7059024, 7059025, 7059026, 7059027, 7059028, 7059029 via cif-deposit CGI script.	7059020.cif