Crystallography Open Database

Information card for entry 7709908

Preview

Coordinates	7709908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Cl3 Cu3 N6 O2
Calculated formula	C38 H38 Cl3 Cu3 N6 O2
Title of publication	Conformationally dynamic copper coordination complexes
Authors of publication	Charette, Bronte J.; Griffin, Paul J.; Zimmerman, Claire M.; Olshansky, Lisa
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.2127 ± 0.0002 Å
b	19.9564 ± 0.0005 Å
c	23.1694 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3797.37 ± 0.17 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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