Crystallography Open Database

Information card for entry 7121872

Preview

Coordinates	7121872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 I2 N2 P
Calculated formula	C21 H25 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	9.253 ± 0.0006 Å
b	15.3097 ± 0.0011 Å
c	16.0029 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2267 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	7121872.cif
208596	2018-06-22	cif/ Adding structures of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 via cif-deposit CGI script.	7121872.cif