Crystallography Open Database

Information card for entry 4511420

Preview

Coordinates	4511420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H52 O28 P6 Zn5
Calculated formula	C17 H44 O27 P6 Zn5
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	23.215 ± 0.005 Å
b	17.112 ± 0.005 Å
c	10.343 ± 0.002 Å
α	90°
β	94.529 ± 0.01°
γ	90°
Cell volume	4096 ± 1.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1575
Weighted residual factors for all reflections included in the refinement	0.1725
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.6888 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	4511420.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.	4511420.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.	4511420.cif