Crystallography Open Database

Information card for entry 7049100

Preview

Coordinates	7049100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H33 Cl1.63 I0.37 P
Calculated formula	C36 H33 Cl1.6352 I0.3648 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	11.2059 ± 0.0005 Å
b	19.1823 ± 0.0009 Å
c	14.8511 ± 0.0006 Å
α	90°
β	105.67 ± 0.002°
γ	90°
Cell volume	3073.7 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	1.266
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.	7049100.cif
213775	2019-02-22	cif/ Adding structures of 7049097, 7049098, 7049099, 7049100, 7049101, 7049102, 7049103, 7049104, 7049105 via cif-deposit CGI script.	7049100.cif