Crystallography Open Database

Information card for entry 7705682

Preview

Coordinates	7705682.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{[(NDipp)C(CH3)]2CH}GaPGa[(NDipp)2C12H5]*2tol
Formula	C84 H102 Ga2 N5 P
Calculated formula	C84 H102 Ga2 N5 P
SMILES	[Ga]1(N(C2=C(N1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C)=[P]=[Ga]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccccc1.Cc1ccccc1.Cc1ccccc1
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	27.3275 ± 0.0002 Å
b	17.6404 ± 0.0002 Å
c	31.0011 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	14944.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7705682.cif
258354	2020-10-14	cif/ Adding structures of 7705675, 7705676, 7705677, 7705678, 7705679, 7705680, 7705681, 7705682, 7705683 via cif-deposit CGI script.	7705682.cif