Crystallography Open Database

Information card for entry 7132718

Preview

Coordinates	7132718.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4
Formula	C40 H98 N10 P4 U2
Calculated formula	C40 H96 N10 P4 U2
SMILES	[U]123(=[N]=[U]45(=[N]=1)(N(P(C(C)C)C(C)C)CC[N]4(C)C)N(P(C(C)C)C(C)C)CC[N]5(C)C)([N](CCN2P(C(C)C)C(C)C)(C)C)[N](C)(CCN3P(C(C)C)C(C)C)C
Title of publication	Temperature induced single-crystal to single-crystal transformation of uranium azide complexes.
Authors of publication	Li, Kai; Rajeshkumar, Thayalan; Zhao, Yue; Wang, Tianwei; Maron, Laurent; Zhu, Congqing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	21
Pages of publication	2966 - 2969
a	10.769 ± 0.003 Å
b	13.579 ± 0.003 Å
c	20.817 ± 0.005 Å
α	82.853 ± 0.006°
β	79.684 ± 0.006°
γ	69.571 ± 0.005°
Cell volume	2800.2 ± 1.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
290831 (current)	2024-04-05	cif/ Updating files of 7132717, 7132718, 7132719, 7132720, 7132721, 7132722, 7132723, 7132724, 7132725, 7132726, 7132727, 7132728, 7132729 Original log message: Adding full bibliography for 7132717--7132729.cif.	7132718.cif
289848	2024-02-17	cif/ Adding structures of 7132717, 7132718, 7132719, 7132720, 7132721, 7132722, 7132723, 7132724, 7132725, 7132726, 7132727, 7132728, 7132729 via cif-deposit CGI script.	7132718.cif