Crystallography Open Database

Information card for entry 7049101

Preview

Coordinates	7049101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 Cl1.77 I0.23 Sb
Calculated formula	C33 H27 Cl1.7742 I0.2258 Sb
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	9.5535 ± 0.0009 Å
b	12.4822 ± 0.0012 Å
c	13.5312 ± 0.0013 Å
α	104.561 ± 0.004°
β	106.008 ± 0.004°
γ	109.385 ± 0.004°
Cell volume	1354.4 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0527
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7049101.cif
213775	2019-02-22	cif/ Adding structures of 7049097, 7049098, 7049099, 7049100, 7049101, 7049102, 7049103, 7049104, 7049105 via cif-deposit CGI script.	7049101.cif