Crystallography Open Database

Information card for entry 1570720

Preview

Coordinates	1570720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H60 B10 N16 O7 Pb2
Calculated formula	C59 H60 B10 N16 O7 Pb2
SMILES	[Pb]123([O]=N(=O)O1)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[Pb]123([O]=N(O1)=O)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.O(CCCCCN=N#N)[B]1234[BH]56[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[BH]691.N#CC.N#CC.N#CC
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	9.377 ± 0.003 Å
b	17.981 ± 0.006 Å
c	19.298 ± 0.01 Å
α	99.786 ± 0.019°
β	95.463 ± 0.018°
γ	97.987 ± 0.009°
Cell volume	3152 ± 2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
288931 (current)	2024-01-07	cif/ Adding structures of 1570720 via cif-deposit CGI script.	1570720.cif