Crystallography Open Database

Information card for entry 1570722

Preview

Coordinates	1570722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H59 B10 N3 O P2
Calculated formula	C53 H59 B10 N3 O P2
SMILES	[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O(CCCCCN=N#N)[B]1234[BH]56[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[BH]691
Title of publication	Synthesis and Structures of Lead(II) Complexes with Substituted Derivatives of the <i>Closo</i>-Decaborate Anion with a Pendant N<sub>3</sub> Group.
Authors of publication	Matveev, Evgenii Yu; Dontsova, Olga S.; Avdeeva, Varvara V.; Kubasov, Alexey S.; Zhdanov, Andrey P.; Nikiforova, Svetlana E.; Goeva, Lyudmila V.; Zhizhin, Konstantin Yu; Malinina, Elena A.; Kuznetsov, Nikolay T.
Journal of publication	Molecules (Basel, Switzerland)
Year of publication	2023
Journal volume	28
Journal issue	24
Pages of publication	8073
a	19.758 ± 0.006 Å
b	13.276 ± 0.002 Å
c	19.385 ± 0.007 Å
α	90°
β	96.157 ± 0.014°
γ	90°
Cell volume	5055 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1589
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
288933 (current)	2024-01-07	cif/ Adding structures of 1570722 via cif-deposit CGI script.	1570722.cif