Crystallography Open Database

Information card for entry 7121873

Preview

Coordinates	7121873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 Cl2 I2 N2 P
Calculated formula	C27 H37 I2 N2 P
Title of publication	Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.
Authors of publication	Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	55
Pages of publication	7645 - 7648
a	10.7558 ± 0.0006 Å
b	18.7258 ± 0.0011 Å
c	16.3345 ± 0.0009 Å
α	90°
β	102.309 ± 0.003°
γ	90°
Cell volume	3214.3 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
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	0.0388
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228053 (current)	2019-11-17	cif/ Updating files of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 Original log message: Adding full bibliography for 7121868--7121873.cif.	7121873.cif
208596	2018-06-22	cif/ Adding structures of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 via cif-deposit CGI script.	7121873.cif