Crystallography Open Database

Information card for entry 4511262

Preview

Coordinates	4511262.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe-Pd-BTC
Formula	C22 H4 Fe4 O17 Pd
Calculated formula	C22 H4 Fe4 O17 Pd
Title of publication	A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks
Authors of publication	Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3434
a	19.9724 ± 0.0009 Å
b	19.9724 ± 0.0009 Å
c	26.0567 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	9001.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1912
Residual factor for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.3819
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179659 (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 4/51/12.	4511262.cif
119052	2014-07-05	cif/ Updating files of 4511261, 4511262 Original log message: Adding full bibliography for 4511261--4511262.cif.	4511262.cif
115599	2014-06-05	cif/ Adding structures of 4511261, 4511262 via cif-deposit CGI script.	4511262.cif