Crystallography Open Database

Information card for entry 1550502

Preview

Coordinates	1550502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H80 Na2 O15 P2
Calculated formula	C62 H80 Na2 O15 P2
SMILES	c1(O[Na]23[O]4CCOCCOCC[O]3CCOCC[O]2CC4)cc(cc(c2ccccc2)p1)c1ccccc1.O1CCCC1
Title of publication	Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes
Authors of publication	Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng
Journal of publication	Chemical Science
Year of publication	2019
a	27.5839 ± 0.001 Å
b	9.1559 ± 0.0002 Å
c	28.119 ± 0.0011 Å
α	90°
β	121.726 ± 0.005°
γ	90°
Cell volume	6040.4 ± 0.5 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213240 (current)	2019-01-22	cif/ Adding structures of 1550495, 1550496, 1550497, 1550498, 1550499, 1550500, 1550501, 1550502, 1550503, 1550504 via cif-deposit CGI script.	1550502.cif