Crystallography Open Database

Information card for entry 7121868

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Structure parameters

Formula	C5 H9 I2 N2 P
Calculated formula	C5 H9 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	13.4578 ± 0.001 Å
b	8.6203 ± 0.0007 Å
c	9.8671 ± 0.0007 Å
α	90°
β	116.365 ± 0.003°
γ	90°
Cell volume	1025.62 ± 0.14 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.017
Residual factor for significantly intense reflections	0.0142
Weighted residual factors for significantly intense reflections	0.0274
Weighted residual factors for all reflections included in the refinement	0.0282
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7121868.cif
228053	2019-11-17	cif/ Updating files of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 Original log message: Adding full bibliography for 7121868--7121873.cif.	7121868.cif
208596	2018-06-22	cif/ Adding structures of 7121868, 7121869, 7121870, 7121871, 7121872, 7121873 via cif-deposit CGI script.	7121868.cif