Crystallography Open Database

Information card for entry 4500428

Preview

Coordinates	4500428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Ca O10
Calculated formula	C9 H12 Ca O10
Title of publication	Crystal to Calcite: Fabrication of Pure Calcium Carbonate Polymorph in the Solid State
Authors of publication	Borah, Ballav Moni; Dey, Sandeep Kumar; Das, Gopal
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2773
a	10.2023 ± 0.0004 Å
b	16.4489 ± 0.0007 Å
c	7.4756 ± 0.0003 Å
α	90°
β	102.316 ± 0.002°
γ	90°
Cell volume	1225.66 ± 0.09 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
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	0.081
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.2037
Weighted residual factors for all reflections included in the refinement	0.2096
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179535 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/04.	4500428.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500428.cif
34490	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500428 via cif-deposit CGI script.	4500428.cif