Crystallography Open Database

Information card for entry 7126342

Preview

Coordinates	7126342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Cu F6 N5 O4
Calculated formula	C19 H17 Cu F6 N5 O4
Title of publication	Modelling a 'histidine brace' motif in mononuclear copper monooxygenases.
Authors of publication	Fukatsu, Arisa; Morimoto, Yuma; Sugimoto, Hideki; Itoh, Shinobu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	38
Pages of publication	5123 - 5126
a	10.8947 ± 0.0006 Å
b	17.8622 ± 0.0008 Å
c	11.5657 ± 0.0006 Å
α	90°
β	106.714 ± 0.007°
γ	90°
Cell volume	2155.6 ± 0.2 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 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	0.0522
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7126342.html