Crystallography Open Database

Information card for entry 7716737

Preview

Coordinates	7716737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H84 N4 Ni2 O P4
Calculated formula	C84 H84 N4 Ni2 O P4
Title of publication	Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as catalysts for tandem hydroamination-alkynylation: effect of anions on product formation.
Authors of publication	Mondal, Munmun; Mani, Ganesan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	33
Pages of publication	13996 - 14010
a	24.594 ± 0.005 Å
b	9.933 ± 0.002 Å
c	28.552 ± 0.009 Å
α	90°
β	94.19 ± 0.006°
γ	90°
Cell volume	6956 ± 3 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
294549 (current)	2024-09-06	cif/ Updating files of 7716734, 7716735, 7716736, 7716737, 7716738, 7716739 Original log message: Adding full bibliography for 7716734--7716739.cif.	7716737.cif
293547	2024-07-26	cif/ Adding structures of 7716734, 7716735, 7716736, 7716737, 7716738, 7716739 via cif-deposit CGI script.	7716737.cif