Crystallography Open Database

Information card for entry 7703416

Preview

Coordinates	7703416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H87 Co N3 P3 Zr
Calculated formula	C61 H87 Co N3 P3 Zr
Title of publication	Dimerization of terminal alkynes promoted by a heterobimetallic Zr/Co complex.
Authors of publication	Beattie, Jeffrey W.; Wang, Canning; Zhang, Hongtu; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2407 - 2411
a	12.0196 ± 0.0009 Å
b	34.104 ± 0.003 Å
c	13.9512 ± 0.0009 Å
α	90°
β	97.923 ± 0.002°
γ	90°
Cell volume	5664.2 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for all reflections	0.0912
Weighted residual factors for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.0049
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
248927 (current)	2020-03-05	cif/ Updating files of 7703415, 7703416 Original log message: Adding full bibliography for 7703415--7703416.cif.	7703416.cif
247427	2020-02-01	cif/ Adding structures of 7703415, 7703416 via cif-deposit CGI script.	7703416.cif