Crystallography Open Database

Information card for entry 7061803

Preview

Coordinates	7061803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H49 Cu2 O2 P3 S2
Calculated formula	C59 H48 Cl Cu2 O2 P3 S
Title of publication	Synthesis and structural features of a series of Cu(i) furan-2-thiocarboxylate complexes: efficient “click” catalysts for the synthesis of glycoconjugates and glycocluster
Authors of publication	Kumar, Krishna; Agrahari, Anand K.; Pratap, Rajesh; Tiwari, Vinod K.; Bhattacharya, Subrato
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	38
Pages of publication	18471 - 18481
a	9.7869 ± 0.0008 Å
b	13.8449 ± 0.001 Å
c	19.71 ± 0.0016 Å
α	94.877 ± 0.002°
β	96.169 ± 0.002°
γ	98.945 ± 0.002°
Cell volume	2608.8 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
278477 (current)	2022-10-07	cif/ Updating files of 7061802, 7061803, 7061804, 7061805, 7061806 Original log message: Adding full bibliography for 7061802--7061806.cif.	7061803.cif
277643	2022-09-06	cif/ Adding structures of 7061802, 7061803, 7061804, 7061805, 7061806 via cif-deposit CGI script.	7061803.cif