Crystallography Open Database

Information card for entry 7110173

Preview

Coordinates	7110173.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	iPr2TpZn-SArMe
Formula	C34 H53 B N6 S Zn
Calculated formula	C34 H53 B N6 S Zn
SMILES	[Zn]12(Sc3ccc(cc3)C)[n]3n(c(cc3C(C)C)C(C)C)[BH](n3[n]2c(cc3C(C)C)C(C)C)n2[n]1c(cc2C(C)C)C(C)C
Title of publication	Conversion of nitrite to nitric oxide at zinc via S-nitrosothiols
Authors of publication	Allan Jay P. Cardenas; Rebecca Abelman; Timothy H. Warren
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	168
a	17.0962 ± 0.0011 Å
b	12.391 ± 0.0008 Å
c	17.5534 ± 0.0011 Å
α	90°
β	104.637 ± 0.001°
γ	90°
Cell volume	3597.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7110173.html