Crystallography Open Database

Information card for entry 7049103

Preview

Coordinates	7049103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 Cl1.52 I0.48 P
Calculated formula	C33 H27 Cl1.52 I0.48 P
Title of publication	Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones.
Authors of publication	Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	11
Pages of publication	3786 - 3794
a	10.4208 ± 0.0005 Å
b	14.028 ± 0.0007 Å
c	20.0898 ± 0.001 Å
α	71.795 ± 0.005°
β	81.683 ± 0.004°
γ	77.745 ± 0.004°
Cell volume	2716.5 ± 0.2 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 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	0.0689
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
224530 (current)	2019-11-08	cif/ Updating files of 7049097, 7049098, 7049099, 7049100, 7049101, 7049102, 7049103, 7049104, 7049105 Original log message: Adding full bibliography for 7049097--7049105.cif.	7049103.cif
213775	2019-02-22	cif/ Adding structures of 7049097, 7049098, 7049099, 7049100, 7049101, 7049102, 7049103, 7049104, 7049105 via cif-deposit CGI script.	7049103.cif