Crystallography Open Database

Information card for entry 7129789

Preview

Coordinates	7129789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H35 P
Calculated formula	C47 H35 P
SMILES	P(C1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes
Authors of publication	Shephard, Angus; Daniels, Daisy; Deacon, Glen B.; Guo, Zhifang; Jaroschik, Florian; Junk, Peter Courtney
Journal of publication	Chemical Communications
Year of publication	2022
a	9.115 ± 0.0018 Å
b	10.483 ± 0.002 Å
c	19.585 ± 0.004 Å
α	96.14 ± 0.03°
β	90.06 ± 0.03°
γ	115.02 ± 0.03°
Cell volume	1683.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273571 (current)	2022-03-10	cif/ Adding structures of 7129786, 7129787, 7129788, 7129789, 7129790, 7129791 via cif-deposit CGI script.	7129789.cif