Crystallography Open Database

Information card for entry 7048694

Preview

Coordinates	7048694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 B Ir N8 O P S2
Calculated formula	C29 H35 B Ir N8 O P S2
Title of publication	5-Mercaptotetrazolyl-derived metallaboratranes.
Authors of publication	Hill, Anthony F.; Schwich, Torsten; Xiong, Yaoyao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	7
Pages of publication	2367 - 2376
a	13.4693 ± 0.0002 Å
b	14.5628 ± 0.0002 Å
c	16.6475 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3265.42 ± 0.08 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	8
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	0.0309
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for all reflections	0.0571
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.0078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224303 (current)	2019-11-08	cif/ Updating files of 7048694, 7048695, 7048696 Original log message: Adding full bibliography for 7048694--7048696.cif.	7048694.cif
213253	2019-01-23	cif/ Adding structures of 7048694, 7048695, 7048696 via cif-deposit CGI script.	7048694.cif