Crystallography Open Database

Information card for entry 1566970

Preview

Coordinates	1566970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H69 B2 Cu4 F16 N14 O12.5 S4
Calculated formula	C77.962 H69 B2 Cu4 F15.886 N13.962 O12.462 S4.05
Title of publication	Robust dicopper(i) μ-boryl complexes supported by a dinucleating naphthyridine-based ligand.
Authors of publication	Ríos, Pablo; See, Matthew S.; Handford, Rex C.; Teat, Simon J.; Tilley, T. Don
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	22
Pages of publication	6619 - 6625
a	12.4859 ± 0.0001 Å
b	32.2974 ± 0.0003 Å
c	21.2406 ± 0.0002 Å
α	90°
β	90.543 ± 0.001°
γ	90°
Cell volume	8565.14 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0967
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2561
Weighted residual factors for all reflections included in the refinement	0.2677
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276599 (current)	2022-07-06	cif/ Updating files of 1566968, 1566969, 1566970 Original log message: Adding full bibliography for 1566968--1566970.cif.	1566970.cif
275417	2022-05-14	cif/ Adding structures of 1566968, 1566969, 1566970 via cif-deposit CGI script.	1566970.cif