Crystallography Open Database

Information card for entry 7705683

Preview

Coordinates	7705683.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ga(PPMe3)(Me2IPr)[(NDipp)2C12H5]*0.66OEt2
Formula	C52.67 H75.67 Ga N4 O0.67 P2
Calculated formula	C52.6667 H75.6667 Ga N4 O0.666667 P2
SMILES	[Ga]1(P=P(C)(C)C)(N(C2=C(N1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1C(C)C)C)C)C(C)C.CCOCC
Title of publication	Synthesis and decarbonylation chemistry of gallium phosphaketenes.
Authors of publication	Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	43
Pages of publication	15249 - 15255
a	46.3247 ± 0.0005 Å
b	46.3247 ± 0.0005 Å
c	12.9618 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	24089.1 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260742 (current)	2021-01-07	cif/ Updating files of 7705675, 7705676, 7705677, 7705678, 7705679, 7705680, 7705681, 7705682, 7705683 Original log message: Adding full bibliography for 7705675--7705683.cif.	7705683.cif
258354	2020-10-14	cif/ Adding structures of 7705675, 7705676, 7705677, 7705678, 7705679, 7705680, 7705681, 7705682, 7705683 via cif-deposit CGI script.	7705683.cif