Crystallography Open Database

Information card for entry 4511413

Preview

Coordinates	4511413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 O6 P2 Zn
Calculated formula	C3 H8 O6 P2 Zn
Title of publication	Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families
Authors of publication	Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3612
a	8.595 ± 0.007 Å
b	5.056 ± 0.004 Å
c	18.096 ± 0.015 Å
α	90°
β	93.344 ± 0.009°
γ	90°
Cell volume	785 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0327
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179661 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/14.	4511413.cif
119043	2014-07-05	cif/ Updating files of 4511411, 4511412, 4511413, 4511414, 4511415, 4511416, 4511417, 4511418, 4511419, 4511420, 4511421 Original log message: Adding full bibliography for 4511411--4511421.cif.	4511413.cif
117926	2014-06-21	cif/ Adding structures of 4511411, 4511412, 4511413, 4511414, 4511415, 4511416, 4511417, 4511418, 4511419, 4511420, 4511421 via cif-deposit CGI script.	4511413.cif