Crystallography Open Database

Information card for entry 4323794

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Structure parameters

Formula	C6 H16 O4 P2
Calculated formula	C6 H16 O4 P2
Title of publication	Generation of 19-Electron Adducts in Aqueous Solution Using the Water-Soluble (HOCH2)2PCH2CH2P(CH2OH)2 Ligand
Authors of publication	Gregory F. Nieckarz; T. J. R. Weakley; Warren K. Miller; Brian E. Miller; David K. Lyon; David R. Tyler
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	1721 - 1724
a	5.1088 ± 0.0007 Å
b	6.2415 ± 0.0008 Å
c	8.88 ± 0.001 Å
α	99.714 ± 0.01°
β	98.31 ± 0.01°
γ	108.957 ± 0.01°
Cell volume	257.85 ± 0.06 Å³
Cell temperature	294.2 K
Ambient diffraction temperature	294.2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.0633
Goodness-of-fit parameter for significantly intense reflections	3.354
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4323794.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4323794.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323794.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323794.cif
24043	2011-08-12	../uploads/cif-deposit/cod/cif Adding structures of 4323794 via cif-deposit CGI script.	4323794.cif